4-cinnamylidene-1H-pyrazol-5-one

C12H10N2O — CID 88840693

IUPAC4-cinnamylidene-1H-pyrazol-5-one
SMILESO=C1NN=CC1=CC=Cc1ccccc1
InChIInChI=1S/C12H10N2O/c15-12-11(9-13-14-12)8-4-7-10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKeyXASLVAHPSRWPHN-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.74
Rot. Bonds2

About 4-cinnamylidene-1H-pyrazol-5-one

4-cinnamylidene-1H-pyrazol-5-one (PubChem CID 88840693) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-cinnamylidene-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-cinnamylidene-1H-pyrazol-5-one
PubChem CID88840693
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-cinnamylidene-1H-pyrazol-5-one
SMILESO=C1NN=CC1=CC=Cc1ccccc1
InChIInChI=1S/C12H10N2O/c15-12-11(9-13-14-12)8-4-7-10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKeyXASLVAHPSRWPHN-UHFFFAOYSA-N
XLogP1.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 965914
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4-phenylbuta-1,3-dienylbenzene
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(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 746867
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one
CID 5358628
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one
CID 5358629
(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
CID 135443014
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
CID 136665622

Frequently Asked Questions

What is the IUPAC name of 4-cinnamylidene-1H-pyrazol-5-one?
The IUPAC name of 4-cinnamylidene-1H-pyrazol-5-one (CID 88840693) is 4-cinnamylidene-1H-pyrazol-5-one.
What is the SMILES notation for 4-cinnamylidene-1H-pyrazol-5-one?
The canonical SMILES for 4-cinnamylidene-1H-pyrazol-5-one is O=C1NN=CC1=CC=Cc1ccccc1.
What is the InChIKey of 4-cinnamylidene-1H-pyrazol-5-one?
The InChIKey is XASLVAHPSRWPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-11(9-13-14-12)8-4-7-10-5-2-1-3-6-10/h1-9H,(H,14,15).
What are the key properties of 4-cinnamylidene-1H-pyrazol-5-one?
4-cinnamylidene-1H-pyrazol-5-one has a molecular weight of 198.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cinnamylidene-1H-pyrazol-5-one is sourced from PubChem (CID 88840693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).